TDT2MOL CCOC(=NS(=O)(=O)C)NC1CCC=C1N2C(COC)CCC2COC 57 58 0 0 0 0 0 -4.4000 0.2500 1.1200 C 0 0 0 3 0 0 -3.6300 0.1200 -0.1700 C 0 0 0 2 0 0 -2.7200 -0.8700 -0.0800 O 0 0 0 0 0 0 -1.9700 -0.7900 1.0300 C 0 0 0 0 0 0 -2.0700 -1.6600 1.9300 N 0 0 0 0 0 0 -3.1900 -2.9900 1.7500 S 0 0 0 0 0 0 -4.4900 -2.6100 2.2500 O 0 0 0 0 0 0 -2.7000 -4.1400 2.5000 O 0 0 0 0 0 0 -3.3100 -3.4400 0.0000 C 0 0 0 3 0 0 -1.0200 0.2900 1.2300 N 0 0 0 1 0 0 -0.8500 1.3100 0.2300 C 0 0 0 1 0 0 -1.4000 2.6500 0.6600 C 0 0 0 2 0 0 -0.2900 3.2900 1.4700 C 0 0 0 2 0 0 0.9800 2.6900 0.8500 C 0 0 0 1 0 0 0.6700 1.5700 0.1500 C 0 0 0 0 0 0 1.5600 0.7400 -0.5600 N 0 0 0 0 0 0 3.0200 0.9400 -0.6600 C 0 0 0 1 0 0 3.2700 2.0900 -1.5800 C 0 0 0 2 0 0 4.5900 2.2900 -1.7300 O 0 0 0 0 0 0 5.1800 2.7100 -0.6100 C 0 0 0 3 0 0 3.5100 -0.3600 -1.2400 C 0 0 0 2 0 0 2.3400 -0.8000 -2.1300 C 0 0 0 2 0 0 1.1300 -0.4700 -1.3000 C 0 0 0 1 0 0 0.8100 -1.5400 -0.3100 C 0 0 0 2 0 0 0.3800 -2.6400 -0.9600 O 0 0 0 0 0 0 0.0900 -3.6200 -0.0900 C 0 0 0 3 0 0 -4.9100 -0.6900 1.3400 H 0 0 0 0 0 0 -5.1400 1.0600 1.0200 H 0 0 0 0 0 0 -3.7000 0.4900 1.9300 H 0 0 0 0 0 0 -3.1400 1.0700 -0.4000 H 0 0 0 0 0 0 -4.3400 -0.1200 -0.9800 H 0 0 0 0 0 0 -2.3200 -3.7300 -0.3700 H 0 0 0 0 0 0 -3.6800 -2.5700 -0.5700 H 0 0 0 0 0 0 -4.0100 -4.2800 -0.1100 H 0 0 0 0 0 0 -0.4800 0.3100 2.0700 H 0 0 0 0 0 0 -1.1800 0.9600 -0.7500 H 0 0 0 0 0 0 -2.3200 2.5500 1.2300 H 0 0 0 0 0 0 -1.6200 3.2700 -0.2300 H 0 0 0 0 0 0 -0.3100 2.9600 2.5200 H 0 0 0 0 0 0 -0.2400 4.3700 1.4100 H 0 0 0 0 0 0 1.9700 3.1100 0.9700 H 0 0 0 0 0 0 3.4100 1.1600 0.3400 H 0 0 0 0 0 0 2.8400 1.8700 -2.5700 H 0 0 0 0 0 0 2.8000 3.0000 -1.1800 H 0 0 0 0 0 0 6.2100 3.0600 -0.8500 H 0 0 0 0 0 0 5.2500 1.8900 0.1200 H 0 0 0 0 0 0 4.6300 3.5500 -0.1600 H 0 0 0 0 0 0 3.6400 -1.1100 -0.4400 H 0 0 0 0 0 0 4.4400 -0.2700 -1.8000 H 0 0 0 0 0 0 2.4100 -1.8600 -2.3900 H 0 0 0 0 0 0 2.3600 -0.2000 -3.0500 H 0 0 0 0 0 0 0.2400 -0.2200 -1.8900 H 0 0 0 0 0 0 0.0000 -1.1900 0.3600 H 0 0 0 0 0 0 1.7000 -1.7800 0.2800 H 0 0 0 0 0 0 -0.3200 -4.4800 -0.6300 H 0 0 0 0 0 0 1.0000 -3.9300 0.4500 H 0 0 0 0 0 0 -0.6600 -3.2700 0.6400 H 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 8 2 0 6 9 1 0 4 10 1 0 10 11 1 0 11 15 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 23 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 17 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 27 1 1 0 28 1 1 0 29 1 1 0 30 2 1 0 31 2 1 0 32 9 1 0 33 9 1 0 34 9 1 0 35 10 1 0 36 11 1 0 37 12 1 0 38 12 1 0 39 13 1 0 40 13 1 0 41 14 1 0 42 17 1 0 43 18 1 0 44 18 1 0 45 20 1 0 46 20 1 0 47 20 1 0 48 21 1 0 49 21 1 0 50 22 1 0 51 22 1 0 52 23 1 0 53 24 1 0 54 24 1 0 55 26 1 0 56 26 1 0 57 26 1 0 M END $$$$